⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1099725 | 0.68 | DPP4 (0.31) | — | |
| SCHEMBL29068174 | 0.59 | TSHR (0.36) | — | |
| SCHEMBL22746729 | 0.56 | NAALAD2 (0.35) | — | |
| SCHEMBL17927924 | 0.55 | — | — | |
| SCHEMBL21758880 | 0.55 | — | — | |
| SCHEMBL24119174 | 0.54 | — | — | |
| SCHEMBL193951 | 0.54 | — | — | |
| SCHEMBL6850213 | 0.54 | — | — | |
| SCHEMBL824112 | 0.52 | — | — | |
| SCHEMBL24275751 | 0.52 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946559-A2 | IMIDAZOPYRIDAZINES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028299-A2 | IMIDAZOPYRIDAZINES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1998-07-02 | — | — | WO | disclosed |